基本情報
- CAS
489450-07-9- 標準SMILES
Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4c(C)nn(C)c4C)c(Cl)c3N2)cc1- InChIKey
WQMGLGQHVOXFEU-UHFFFAOYSA-N- 分子式
- C22H24ClF3N6O
- 平均分子量
- 480.9 g/mol
- 単同位体質量
- 480.1652216
名称と識別子
- 優先名称
- 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 英語名
- 3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 分子式
- C22H24ClF3N6O
- 分子量
- 480.91
名称と別名
MLS000028204SMR0000115793-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-Chloro-5-p-tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,3,5-trimethyl-1H-pyrazol-4-ylmethyl)-amide3-CHLORO-5-(4-METHYLPHENYL)-7-(TRIFLUOROMETHYL)-N-[(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHYL]-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDEMLS000880220CHEMBL1555853BDBM44555cid_5767160HMS2474J22STL405124
名称をさらに表示
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-4,5,6,7-tetrahydro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-
AKOS000561987AKOS022005321CCG-116042ST45161383ST50014645AK-968/153603693-chloranyl-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 76.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 706
物理化学的性質
- 沸点
- 632 · 632.0±55.0 °C(Predicted)
- 比重(密度)
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.39 · 12.39±0.60(Predicted)
化学と産業
サプライヤー1 社
SPECS[email protected]
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